Citations in PubMed

PDB ID Mentions in PubMed Central
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Citations in PubMed

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PDB ID Mentions in PubMed Central

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Utilizing a dynamical description of IspH to aid in the development of novel antimicrobial drugs.

While other local minima are present, the [Fe 4 S 4 ] 2+ (open,substrate-free) simulations sample energy wells near both the open (PDB ID: 3DNF) and closed (PDB ID: 3KE8) crystal structures along PC1 ... ut do not overlap with the latter, HMBPP-bound crystal structure.

Alignment procedures implemented in the RMSD and tRMSF calculations are performed with respect to the [Fe 3 S 4 ] + (open, substrate-free) IspH crystal structure (PDB ID: 3DNF [23] ), aligning to the backbone atoms of D1, as this domain is the most rigid in all simulations.